Basic information
- Standard SMILES
CCOC(=O)N1CCNCC1- InChIKey
LNOQURRKNJKKBU-UHFFFAOYSA-N- Molecular formula
- C7H14N2O2
- Average molar mass
- 158.2 g/mol
- Monoisotopic mass
- 158.10552769
Names & identifiers
- Preferred name
- 1-Piperazinecarboxylic acid, ethyl ester
- IUPAC
- ethyl piperazine-1-carboxylate
- English name
- Ethyl N-piperazinecarboxylate
- Molecular formula
- C7H14N2O2
- Molecular weight
- 158.2
Names & synonyms
120-43-4Ethyl N-piperazinecarboxylateEthyl 1-piperazinecarboxylate1-PIPERAZINECARBOXYLIC ACID, ETHYL ESTERN-(Ethoxycarbonyl)piperazinePiperazine ethylcarboxylateBRN 0125780EINECS 204-395-2Ethyl N-piperazinocarboxylaten-carboethoxypiperazinePiperazine-N-carboxylic acid ethyl esterDTXSID7059511
Show more names
AKOS BC-0597RARECHEM AH CK 0098TIMTEC-BB SBB003993LABOTEST-BB LT00138086ethylcarbonylpiperazineEthylcarbonyl piperazine
5-23-01-00055 (Beilstein Handbook Reference)RefChem:77021DTXCID1033535LNOQURRKNJKKBU-UHFFFAOYSA-NEthyl piperazine-1-carboxylateN-Carbethoxypiperazine1-Carbethoxypiperazine1-Carboethoxypiperazine
Database identifiers
- CAS
120-43-4- PubChem CID
- 8431
- DTXSID
DTXSID7059511- ChEMBL
CHEMBL213851- UNII
- 29325GHS9J
- EC Number
- 204-395-2
- Nikkaji
- J19A
Properties
Computed structural properties
- XLogP
- -0.2
- Topological polar surface area
- 41.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 132
Experimental & physicochemical properties
Dissociation Constants8.2
Physicochemical properties
- Melting point
- 120 °C · 120 °C
- Boiling point
- 273 °C · 273 °C (lit.)
- Density
- 1.08 g/mL · 1.08 g/mL at 25 °C (lit.)
- refractive index
- 20 · n20/D 1.477(lit.)
- Flash point
- 230 °F · >230 °F
- storage temp.
- Keep in dark place,Sealed in dry,Room Temperature
- form
- Oily Liquid
- pka
- 8.5 · 8.50±0.10(Predicted)
- color
- Clear light yellow
- Water Solubility
- soluble
- BRN
- 125780 · 125780
- InChI
- 1S/C7H14N2O2/c1-2-11-7(10)9-5-3-8-4-6-9/h8H,2-6H2,1H3
- InChIKey
- LNOQURRKNJKKBU-UHFFFAOYSA-N
- SMILES
- CCOC(=O)N1CCNCC1
- CAS DataBase Reference
- 120 · 120-43-4(CAS DataBase Reference)
- FDA UNII
- 29325 GHS9J · 29325GHS9J
- NIST Chemistry Reference
- 1 · 1-Piperazinecarboxylic acid, ethyl ester(120-43-4)
- EPA Substance Registry System
- 1 · 1-Piperazinecarboxylic acid, ethyl ester (120-43-4)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P280a-P304+P340-P305+P351+P338-P405-P501a
- PPE
- Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
- Hazard Codes
- Xn,T
- Risk Statements
- 22 · 22-36/37/38-20/21/22
- Safety Statements
- 23 · 23-24/25-37/39-26-36
- RIDADR
- 2810 · UN 2810 6.1/PG 3
- WGK Germany
- 3 · 3
- RTECS
- 1378000 · TL1378000
- Hazard Note
- Toxic
- TSCA
- TSCA listed
- HazardClass
- 6.1 · 6.1(b)
- PackingGroup
- III
- HS Code
- 29335995 · 29335995
- Storage Class
- 10 · 10 - Combustible liquids
- REACH Registrations
- Active
- Limited Quantities
- 5 L · 5.0 L (1.3 gallons) (liquid) or 5.0 kg (11 lbs) (solid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
Safety & regulation
GHS classification
GHS Classification
Warning
H302 (86.5%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 52 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
Status: Active Update: 22-06-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/26347
Piperazine ethylcarboxylate: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesAcute Tox. 4 (86.5%)
Safety data
- PPE
- Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- TL1378000
- ridadr
- UN 2810 6.1/PG 3
- hs_code
- 29335995
- risk_code
- 22-36/37/38-20/21/22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn,T
- hazard_note
- Toxic
- safety_code
- 23-24/25-37/39-26-36
- hazard_class
- 6.1(b)
- Storage Class
- 10 - Combustible liquids
- packing_group
- III
- Hazard statements
- H315-H319-H335
- Limited Quantities
- 5.0 L (1.3 gallons) (liquid) or 5.0 kg (11 lbs) (solid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
- REACH Registrations
- Active
- Precautionary statements
- P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Chemistry & industry
Uses & manufacturing
General Manufacturing Information1-Piperazinecarboxylic acid, ethyl ester: ACTIVE
Applications
UsesIntermediate.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers50 total
国药集团化学试剂有限公司86-21-63210123 · [email protected]
常州帝通化工有限公司+86-0519-88298848 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
上海泰矶林实业有限公司02150630626 17717886015 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
Hebei Yanxi Chemical Co., Ltd.+86-17531190177 · [email protected]
上海弘顺生物科技有限公司15901914505 · [email protected]
淮安嘉目生物科技有限公司0517-83187139 18205232085 · [email protected]
Syntechem Co.,Ltd[email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
宁波亿诺化学品有限公司86-574-27787657 · [email protected]
南京药石科技股份有限公司025-86918202 4000255188 · [email protected]
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
苏州艾缇克药物化学有限公司0512-68323967 18015559028 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
常州康特医药技术有限公司0519-82813797 18994752886 · [email protected]
广东云星生物技术有限公司0751-18902340975/189023400307 18902340307 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
上海景颜化工科技有限公司13817811078 · [email protected]
嘉兴市艾森化工有限公司0573-85285100 18627885956 · [email protected]
Pure Chemistry Scientific Inc.001-857-928-2050 or 1-888-588-9418 · [email protected]
上海隆盛化工有限公司58099637 13585536065 · [email protected]
玛雅试剂+86 (573) 82222445 (0)18006601000 452520369 · [email protected]
天津希恩思生化科技有限公司400 638 7771 · [email protected]
斯百全化学（上海）有限公司021-021-021-67601398-809-809-809 15221380277 · [email protected]
苏州思变化学技术有限公司0512-65617459 18915409046 · [email protected]
赛默飞世尔科技（中国）有限公司800-810-5118 · [email protected]
北京伊诺凯科技有限公司400-810-7969 010-59572699 · [email protected]
南京诺利斯医药科技有限公司13901585132 · [email protected]
TCI AMERICA800-4238616 · [email protected]
TOKYO CHEMICAL INDUSTRY CO., LTD.03-36680489 · [email protected]
金瓯生物医药（南京）有限公司13000000000 · [email protected]
湖北鑫源顺医药化工有限公司13971561712, 13995564702, 027-50664929 · [email protected]
HBCChem, Inc.+1-510-219-6317 · [email protected]
上海毕得医药科技股份有限公司400-164-7117 18317119277 · [email protected]
上海御略医药科技有限公司021-60345187 13671753212 · [email protected]
杭州杰恒化工有限公司0571-87396432 · [email protected]
上海嵩爰化工科技有限公司010-1234567 18521000990 · [email protected]
江苏艾康生物医药研发有限公司025-66028182 17714375163 · [email protected]
上海孚一生物科技有限公司+86 (21) 61124340
池州凯隆进出口贸易有限公司[email protected]
长沙晶康新材料科技有限公司0733-0731-85118349 18229890050 · [email protected]
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
AN PharmaTech Co Ltd86(21)68097365 · [email protected]
上海昕凯医药科技有限公司21-619849051-1 18521059765 · [email protected]
九鼎化学（上海）科技有限公司4009209199 · [email protected]
厦门志信化学有限公司+86-5922680277 +86-13806087780 · [email protected]
sgtlifesciences pvt ltd+91-8790379245 · [email protected]
成都润泽本土化工有限公司028-88469284 18000562381 · [email protected]
Related reactions
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